SCHEMBL12810368

SCHEMBL12810368

Nc1ccc(/N=N/c2c(N)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c(S(=O)(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.57
▸ PRMT1 Q99873 1/20 0.56
▸ APEX1 P27695 2/20 0.55
▸ ENPP2 Q13822 6/20 0.55
▸ MAPK1 P28482 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ DNASE1L3 Q13609 1/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ NT5E P21589 2/20 0.49
▸ SUMO2 P61956 2/20 0.47
▸ SUMO1 P63165 2/20 0.47
▸ SENP7 Q9BQF6 2/20 0.47
▸ SENP2 Q9HC62 2/20 0.47
▸ SENP3 Q9H4L4 1/20 0.47
▸ SENP1 Q9P0U3 1/20 0.47
▸ NSD2 O96028 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ PTPN5 P54829 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14608715 0.90 CYP1A2 (0.54) CYP1A2PRMT1APEX1ENPP2MAPK1
SCHEMBL13763488 0.89 CYP1A2 (0.55) CYP1A2PRMT1APEX1ENPP2MAPK1
SCHEMBL12511365 0.89 CYP1A2 (0.72) CYP1A2PRMT1APEX1ENPP2MAPK1
SCHEMBL14495162 0.87 CYP1A2 (0.67) CYP1A2PRMT1ENPP2MAPK1CYP2C9
SCHEMBL6346835 0.86 APEX1 (0.73) CYP1A2PRMT1APEX1ENPP2MAPK1
SCHEMBL11670482 0.86 APEX1 (0.73) CYP1A2PRMT1APEX1ENPP2MAPK1
SCHEMBL11670965 0.86 APEX1 (0.73) CYP1A2PRMT1APEX1ENPP2MAPK1
SCHEMBL14269776 0.86 ENPP2 (0.60) CYP1A2PRMT1APEX1ENPP2MAPK1
SCHEMBL13715778 0.86 ENPP2 (0.60) CYP1A2PRMT1APEX1ENPP2MAPK1
SCHEMBL11670471 0.85 APEX1 (0.72) CYP1A2PRMT1APEX1ENPP2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453919-B1 REACTIVE AZO DYES, METHOD FOR THE PRODUCTION AND USE THEREOF DYSTAR COLOURS DEUTSCHLAND (DE) 2011-03-16 — — EP disclosed
WO-2009069077-A2 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2009-06-04 — — WO disclosed
Send feedback